(2,6-dibromo-4-sulfamoylphenyl)thiourea

C7H7Br2N3O2S2 — CID 86202105

IUPAC(2,6-dibromo-4-sulfamoylphenyl)thiourea
SMILESNC(=S)Nc1c(Br)cc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H7Br2N3O2S2/c8-4-1-3(16(11,13)14)2-5(9)6(4)12-7(10)15/h1-2H,(H3,10,12,15)(H2,11,13,14)
InChIKeyZZVKIGXRACAGJG-UHFFFAOYSA-N
MW389.09 g/mol
LogP1.51
Rot. Bonds2

About (2,6-dibromo-4-sulfamoylphenyl)thiourea

(2,6-dibromo-4-sulfamoylphenyl)thiourea (PubChem CID 86202105) has the molecular formula C7H7Br2N3O2S2 and a molecular weight of 389.09 g/mol. Its IUPAC name is (2,6-dibromo-4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name(2,6-dibromo-4-sulfamoylphenyl)thiourea
PubChem CID86202105
Molecular FormulaC7H7Br2N3O2S2
Molecular Weight389.09 g/mol
Exact Mass386.83
IUPAC Name(2,6-dibromo-4-sulfamoylphenyl)thiourea
SMILESNC(=S)Nc1c(Br)cc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H7Br2N3O2S2/c8-4-1-3(16(11,13)14)2-5(9)6(4)12-7(10)15/h1-2H,(H3,10,12,15)(H2,11,13,14)
InChIKeyZZVKIGXRACAGJG-UHFFFAOYSA-N
XLogP1.51
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.09
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2,6-dibromo-4-nitrophenyl)thiourea
CID 3776125
(2,4-dibromo-6-ethylphenyl)thiourea
CID 169356329
(2-methyl-5-sulfamoylphenyl)thiourea
CID 169356925
(2,4-dibromo-6-methoxyphenyl)thiourea
CID 138682629
3-bromo-4-(carbamothioylamino)-5-methylbenzoic acid
CID 169357062
3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
(2,6-difluoro-4-methylsulfonylphenyl)thiourea
CID 169359581
(2-bromo-4-chloro-6-nitrophenyl)thiourea
CID 169356003
[2-(dimethylamino)-5-sulfamoylphenyl]thiourea
CID 169357399
4-bromo-1-(carbamothioylamino)-9,10-dioxoanthracene-2-sulfonic acid
CID 169359908
3-bromo-4-chloro-5-methylbenzenesulfonamide
CID 171001910
(2,4,6-tribromophenyl)urea
CID 28991940

Frequently Asked Questions

What is the IUPAC name of (2,6-dibromo-4-sulfamoylphenyl)thiourea?
The IUPAC name of (2,6-dibromo-4-sulfamoylphenyl)thiourea (CID 86202105) is (2,6-dibromo-4-sulfamoylphenyl)thiourea.
What is the SMILES notation for (2,6-dibromo-4-sulfamoylphenyl)thiourea?
The canonical SMILES for (2,6-dibromo-4-sulfamoylphenyl)thiourea is NC(=S)Nc1c(Br)cc(S(N)(=O)=O)cc1Br.
What is the InChIKey of (2,6-dibromo-4-sulfamoylphenyl)thiourea?
The InChIKey is ZZVKIGXRACAGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N3O2S2/c8-4-1-3(16(11,13)14)2-5(9)6(4)12-7(10)15/h1-2H,(H3,10,12,15)(H2,11,13,14).
What are the key properties of (2,6-dibromo-4-sulfamoylphenyl)thiourea?
(2,6-dibromo-4-sulfamoylphenyl)thiourea has a molecular weight of 389.09 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromo-4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 86202105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).